7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C10H14N2O2S — CID 15586461

IUPAC7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1nc2n(c(=O)c1CCO)CCCS2
InChIInChI=1S/C10H14N2O2S/c1-7-8(3-5-13)9(14)12-4-2-6-15-10(12)11-7/h13H,2-6H2,1H3
InChIKeyQMWPZHJFIXEZKA-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.58
Rot. Bonds2

About 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 15586461) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID15586461
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1nc2n(c(=O)c1CCO)CCCS2
InChIInChI=1S/C10H14N2O2S/c1-7-8(3-5-13)9(14)12-4-2-6-15-10(12)11-7/h13H,2-6H2,1H3
InChIKeyQMWPZHJFIXEZKA-UHFFFAOYSA-N
XLogP0.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 15586461) is 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is Cc1nc2n(c(=O)c1CCO)CCCS2.
What is the InChIKey of 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is QMWPZHJFIXEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-8(3-5-13)9(14)12-4-2-6-15-10(12)11-7/h13H,2-6H2,1H3.
What are the key properties of 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 226.30 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 15586461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).